N-tert-butyl-2-[4-[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-27(2,3)29-24(33)19-31-15-9-14-30(16-17-31)18-23(32)25-21-12-7-8-13-22(21)28-26(25)20-10-5-4-6-11-20/h4-8,10-13,28H,9,14-19H2,1-3H3,(H,29,33)/p+1